USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 619 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 HIS : no HD1:sc= -0.0934 X(o=-0.099,f=-0.48) USER MOD Set 1.2: A 88 TYR OH : rot 120:sc=-0.00532 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -179:sc= -2.07 (180deg=-2.07) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0.0166 USER MOD Single : A 39 LYS NZ :NH3+ -136:sc= 1.87 (180deg=-1.26) USER MOD Single : A 40 LYS NZ :NH3+ -139:sc= -4.25! (180deg=-7.58!) USER MOD Single : A 41 MET CE :methyl -157:sc= -8.25! (180deg=-10!) USER MOD Single : A 42 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.6!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 102:sc= 1.23 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -3.75! C(o=-3.8!,f=-8.4!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -167:sc= 0.0341 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 15:sc= 1.05 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot -45:sc= 0.147 USER MOD ----------------------------------------------------------------- ATOM 365 N LYS A 24 -3.543 -11.747 -16.943 1.00 0.00 N ATOM 366 CA LYS A 24 -3.393 -10.346 -17.320 1.00 0.00 C ATOM 367 C LYS A 24 -4.497 -9.494 -16.701 1.00 0.00 C ATOM 368 O LYS A 24 -5.123 -8.678 -17.379 1.00 0.00 O ATOM 369 CB LYS A 24 -3.412 -10.202 -18.844 1.00 0.00 C ATOM 370 CG LYS A 24 -2.090 -10.557 -19.505 1.00 0.00 C ATOM 371 CD LYS A 24 -2.303 -11.207 -20.861 1.00 0.00 C ATOM 372 CE LYS A 24 -2.676 -10.180 -21.918 1.00 0.00 C ATOM 373 NZ LYS A 24 -3.246 -10.818 -23.136 1.00 0.00 N ATOM 0 HA LYS A 24 -2.434 -9.994 -16.941 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.195 -10.841 -19.251 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.673 -9.175 -19.100 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.487 -9.656 -19.623 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.530 -11.234 -18.860 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.394 -11.728 -21.163 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.091 -11.957 -20.787 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.400 -9.479 -21.503 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.793 -9.602 -22.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.487 -10.084 -23.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.546 -11.468 -23.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.104 -11.348 -22.881 1.00 0.00 H new ATOM 387 N HIS A 25 -4.733 -9.689 -15.408 1.00 0.00 N ATOM 388 CA HIS A 25 -5.760 -8.940 -14.694 1.00 0.00 C ATOM 389 C HIS A 25 -5.353 -8.706 -13.243 1.00 0.00 C ATOM 390 O HIS A 25 -5.465 -7.593 -12.729 1.00 0.00 O ATOM 391 CB HIS A 25 -7.096 -9.686 -14.747 1.00 0.00 C ATOM 392 CG HIS A 25 -8.276 -8.819 -14.433 1.00 0.00 C ATOM 393 ND1 HIS A 25 -9.089 -8.272 -15.402 1.00 0.00 N ATOM 394 CD2 HIS A 25 -8.782 -8.406 -13.245 1.00 0.00 C ATOM 395 CE1 HIS A 25 -10.041 -7.559 -14.827 1.00 0.00 C ATOM 396 NE2 HIS A 25 -9.877 -7.626 -13.519 1.00 0.00 N ATOM 0 H HIS A 25 -4.226 -10.361 -14.832 1.00 0.00 H new ATOM 0 HA HIS A 25 -5.873 -7.972 -15.182 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -7.224 -10.115 -15.741 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.068 -10.517 -14.042 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.395 -8.646 -12.266 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.820 -7.014 -15.340 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.469 -7.171 -12.824 1.00 0.00 H new ATOM 405 N GLU A 26 -4.880 -9.761 -12.589 1.00 0.00 N ATOM 406 CA GLU A 26 -4.455 -9.670 -11.196 1.00 0.00 C ATOM 407 C GLU A 26 -3.327 -8.655 -11.038 1.00 0.00 C ATOM 408 O GLU A 26 -3.252 -7.947 -10.034 1.00 0.00 O ATOM 409 CB GLU A 26 -4.001 -11.040 -10.688 1.00 0.00 C ATOM 410 CG GLU A 26 -5.143 -11.918 -10.205 1.00 0.00 C ATOM 411 CD GLU A 26 -4.977 -13.368 -10.615 1.00 0.00 C ATOM 412 OE1 GLU A 26 -4.095 -14.047 -10.050 1.00 0.00 O ATOM 413 OE2 GLU A 26 -5.730 -13.825 -11.501 1.00 0.00 O ATOM 0 H GLU A 26 -4.781 -10.689 -13.000 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.306 -9.336 -10.603 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.469 -11.557 -11.487 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.292 -10.899 -9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.209 -11.857 -9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.083 -11.537 -10.604 1.00 0.00 H new ATOM 420 N ILE A 27 -2.452 -8.589 -12.037 1.00 0.00 N ATOM 421 CA ILE A 27 -1.330 -7.660 -12.008 1.00 0.00 C ATOM 422 C ILE A 27 -1.802 -6.226 -12.231 1.00 0.00 C ATOM 423 O ILE A 27 -1.206 -5.279 -11.720 1.00 0.00 O ATOM 424 CB ILE A 27 -0.275 -8.013 -13.074 1.00 0.00 C ATOM 425 CG1 ILE A 27 0.097 -9.495 -12.985 1.00 0.00 C ATOM 426 CG2 ILE A 27 0.962 -7.142 -12.908 1.00 0.00 C ATOM 427 CD1 ILE A 27 0.655 -10.056 -14.276 1.00 0.00 C ATOM 0 H ILE A 27 -2.499 -9.168 -12.876 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.876 -7.744 -11.021 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.701 -7.822 -14.059 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.832 -9.630 -12.192 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.787 -10.067 -12.701 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.697 -7.405 -13.669 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.686 -6.093 -13.017 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.391 -7.303 -11.919 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.897 -11.110 -14.140 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.087 -9.953 -15.068 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.557 -9.509 -14.550 1.00 0.00 H new ATOM 439 N GLU A 28 -2.878 -6.077 -12.997 1.00 0.00 N ATOM 440 CA GLU A 28 -3.432 -4.760 -13.287 1.00 0.00 C ATOM 441 C GLU A 28 -4.081 -4.158 -12.045 1.00 0.00 C ATOM 442 O GLU A 28 -3.943 -2.965 -11.776 1.00 0.00 O ATOM 443 CB GLU A 28 -4.459 -4.855 -14.417 1.00 0.00 C ATOM 444 CG GLU A 28 -4.813 -3.510 -15.032 1.00 0.00 C ATOM 445 CD GLU A 28 -6.139 -3.537 -15.767 1.00 0.00 C ATOM 446 OE1 GLU A 28 -6.393 -4.516 -16.498 1.00 0.00 O ATOM 447 OE2 GLU A 28 -6.924 -2.578 -15.610 1.00 0.00 O ATOM 0 H GLU A 28 -3.383 -6.852 -13.428 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.615 -4.110 -13.600 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.070 -5.510 -15.196 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.367 -5.320 -14.033 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.852 -2.755 -14.247 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.025 -3.212 -15.723 1.00 0.00 H new ATOM 454 N ALA A 29 -4.788 -4.993 -11.289 1.00 0.00 N ATOM 455 CA ALA A 29 -5.456 -4.546 -10.074 1.00 0.00 C ATOM 456 C ALA A 29 -4.449 -4.032 -9.052 1.00 0.00 C ATOM 457 O ALA A 29 -4.693 -3.037 -8.370 1.00 0.00 O ATOM 458 CB ALA A 29 -6.284 -5.675 -9.480 1.00 0.00 C ATOM 0 H ALA A 29 -4.912 -5.984 -11.498 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.121 -3.723 -10.337 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.777 -5.326 -8.573 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.036 -5.994 -10.202 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.633 -6.516 -9.239 1.00 0.00 H new ATOM 464 N ALA A 30 -3.313 -4.716 -8.954 1.00 0.00 N ATOM 465 CA ALA A 30 -2.267 -4.329 -8.016 1.00 0.00 C ATOM 466 C ALA A 30 -1.746 -2.929 -8.322 1.00 0.00 C ATOM 467 O ALA A 30 -1.511 -2.131 -7.414 1.00 0.00 O ATOM 468 CB ALA A 30 -1.129 -5.338 -8.050 1.00 0.00 C ATOM 0 H ALA A 30 -3.094 -5.541 -9.513 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.697 -4.317 -7.014 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.354 -5.037 -7.345 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.507 -6.323 -7.775 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.709 -5.379 -9.055 1.00 0.00 H new ATOM 474 N ILE A 31 -1.569 -2.635 -9.605 1.00 0.00 N ATOM 475 CA ILE A 31 -1.077 -1.330 -10.030 1.00 0.00 C ATOM 476 C ILE A 31 -2.067 -0.226 -9.665 1.00 0.00 C ATOM 477 O ILE A 31 -1.677 0.920 -9.445 1.00 0.00 O ATOM 478 CB ILE A 31 -0.817 -1.294 -11.551 1.00 0.00 C ATOM 479 CG1 ILE A 31 0.115 -2.437 -11.957 1.00 0.00 C ATOM 480 CG2 ILE A 31 -0.225 0.047 -11.960 1.00 0.00 C ATOM 481 CD1 ILE A 31 0.058 -2.767 -13.433 1.00 0.00 C ATOM 0 H ILE A 31 -1.759 -3.283 -10.369 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.136 -1.159 -9.506 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.768 -1.421 -12.068 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.138 -2.173 -11.691 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.143 -3.327 -11.383 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.048 0.054 -13.036 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.920 0.846 -11.701 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.718 0.203 -11.436 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.744 -3.586 -13.649 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.956 -3.063 -13.701 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.345 -1.890 -14.013 1.00 0.00 H new ATOM 493 N VAL A 32 -3.346 -0.579 -9.605 1.00 0.00 N ATOM 494 CA VAL A 32 -4.389 0.382 -9.267 1.00 0.00 C ATOM 495 C VAL A 32 -4.389 0.692 -7.774 1.00 0.00 C ATOM 496 O VAL A 32 -4.549 1.843 -7.369 1.00 0.00 O ATOM 497 CB VAL A 32 -5.783 -0.133 -9.674 1.00 0.00 C ATOM 498 CG1 VAL A 32 -6.835 0.944 -9.462 1.00 0.00 C ATOM 499 CG2 VAL A 32 -5.779 -0.606 -11.121 1.00 0.00 C ATOM 0 H VAL A 32 -3.686 -1.524 -9.786 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.171 1.293 -9.824 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.033 -0.983 -9.039 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.812 0.561 -9.755 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.858 1.229 -8.410 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.590 1.816 -10.069 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.772 -0.966 -11.389 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.505 0.223 -11.774 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.057 -1.414 -11.238 1.00 0.00 H new ATOM 509 N ARG A 33 -4.211 -0.343 -6.960 1.00 0.00 N ATOM 510 CA ARG A 33 -4.193 -0.180 -5.511 1.00 0.00 C ATOM 511 C ARG A 33 -2.959 0.598 -5.063 1.00 0.00 C ATOM 512 O ARG A 33 -3.052 1.503 -4.233 1.00 0.00 O ATOM 513 CB ARG A 33 -4.228 -1.547 -4.823 1.00 0.00 C ATOM 514 CG ARG A 33 -5.626 -1.997 -4.437 1.00 0.00 C ATOM 515 CD ARG A 33 -5.588 -3.194 -3.501 1.00 0.00 C ATOM 516 NE ARG A 33 -6.907 -3.798 -3.331 1.00 0.00 N ATOM 517 CZ ARG A 33 -7.225 -4.613 -2.326 1.00 0.00 C ATOM 518 NH1 ARG A 33 -6.324 -4.919 -1.401 1.00 0.00 N ATOM 519 NH2 ARG A 33 -8.447 -5.120 -2.246 1.00 0.00 N ATOM 0 H ARG A 33 -4.077 -1.303 -7.279 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.079 0.387 -5.224 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.786 -2.290 -5.487 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -3.607 -1.510 -3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.154 -1.174 -3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.188 -2.254 -5.335 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.896 -3.939 -3.893 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.204 -2.883 -2.530 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.626 -3.583 -4.022 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.383 -4.530 -1.457 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.573 -5.543 -0.634 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.143 -4.886 -2.954 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.691 -5.744 -1.477 1.00 0.00 H new ATOM 533 N ILE A 34 -1.805 0.242 -5.618 1.00 0.00 N ATOM 534 CA ILE A 34 -0.556 0.910 -5.274 1.00 0.00 C ATOM 535 C ILE A 34 -0.590 2.380 -5.683 1.00 0.00 C ATOM 536 O ILE A 34 -0.202 3.258 -4.913 1.00 0.00 O ATOM 537 CB ILE A 34 0.653 0.226 -5.945 1.00 0.00 C ATOM 538 CG1 ILE A 34 0.674 -1.266 -5.605 1.00 0.00 C ATOM 539 CG2 ILE A 34 1.952 0.890 -5.512 1.00 0.00 C ATOM 540 CD1 ILE A 34 1.448 -2.101 -6.602 1.00 0.00 C ATOM 0 H ILE A 34 -1.709 -0.504 -6.307 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.446 0.839 -4.192 1.00 0.00 H new ATOM 0 HB ILE A 34 0.557 0.335 -7.025 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.111 -1.399 -4.615 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.351 -1.633 -5.553 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.793 0.394 -5.996 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.937 1.941 -5.800 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.058 0.811 -4.430 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.421 -3.148 -6.299 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.999 -1.998 -7.590 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.483 -1.760 -6.637 1.00 0.00 H new ATOM 552 N MET A 35 -1.057 2.640 -6.900 1.00 0.00 N ATOM 553 CA MET A 35 -1.143 4.005 -7.409 1.00 0.00 C ATOM 554 C MET A 35 -2.139 4.827 -6.598 1.00 0.00 C ATOM 555 O MET A 35 -1.978 6.037 -6.441 1.00 0.00 O ATOM 556 CB MET A 35 -1.551 3.997 -8.883 1.00 0.00 C ATOM 557 CG MET A 35 -0.426 3.611 -9.834 1.00 0.00 C ATOM 558 SD MET A 35 1.067 4.587 -9.589 1.00 0.00 S ATOM 559 CE MET A 35 0.933 5.712 -10.967 1.00 0.00 C ATOM 0 H MET A 35 -1.381 1.925 -7.551 1.00 0.00 H new ATOM 0 HA MET A 35 -0.159 4.464 -7.314 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.380 3.302 -9.016 1.00 0.00 H new ATOM 0 HB3 MET A 35 -1.918 4.987 -9.153 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.190 2.555 -9.699 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.768 3.732 -10.862 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.794 6.381 -10.976 1.00 0.00 H new ATOM 0 HE2 MET A 35 0.904 5.145 -11.898 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.019 6.298 -10.871 1.00 0.00 H new ATOM 569 N LYS A 36 -3.170 4.161 -6.087 1.00 0.00 N ATOM 570 CA LYS A 36 -4.193 4.831 -5.293 1.00 0.00 C ATOM 571 C LYS A 36 -3.594 5.439 -4.029 1.00 0.00 C ATOM 572 O LYS A 36 -4.079 6.453 -3.526 1.00 0.00 O ATOM 573 CB LYS A 36 -5.306 3.848 -4.922 1.00 0.00 C ATOM 574 CG LYS A 36 -6.669 4.502 -4.774 1.00 0.00 C ATOM 575 CD LYS A 36 -7.713 3.507 -4.289 1.00 0.00 C ATOM 576 CE LYS A 36 -9.061 4.177 -4.074 1.00 0.00 C ATOM 577 NZ LYS A 36 -10.189 3.305 -4.504 1.00 0.00 N ATOM 0 H LYS A 36 -3.319 3.159 -6.209 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.613 5.636 -5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.365 3.073 -5.686 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.046 3.353 -3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.601 5.332 -4.071 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.980 4.920 -5.732 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.817 2.703 -5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.378 3.052 -3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.178 4.428 -3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.094 5.114 -4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.090 3.798 -4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.092 3.086 -5.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.173 2.422 -3.955 1.00 0.00 H new ATOM 591 N SER A 37 -2.537 4.814 -3.521 1.00 0.00 N ATOM 592 CA SER A 37 -1.873 5.295 -2.314 1.00 0.00 C ATOM 593 C SER A 37 -0.588 6.040 -2.658 1.00 0.00 C ATOM 594 O SER A 37 -0.439 7.220 -2.339 1.00 0.00 O ATOM 595 CB SER A 37 -1.563 4.125 -1.378 1.00 0.00 C ATOM 596 OG SER A 37 -1.153 2.982 -2.109 1.00 0.00 O ATOM 0 H SER A 37 -2.122 3.975 -3.925 1.00 0.00 H new ATOM 0 HA SER A 37 -2.548 5.987 -1.810 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.779 4.413 -0.678 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.446 3.885 -0.786 1.00 0.00 H new ATOM 0 HG SER A 37 -0.959 2.249 -1.488 1.00 0.00 H new ATOM 602 N ARG A 38 0.338 5.344 -3.309 1.00 0.00 N ATOM 603 CA ARG A 38 1.611 5.939 -3.696 1.00 0.00 C ATOM 604 C ARG A 38 1.400 7.143 -4.610 1.00 0.00 C ATOM 605 O ARG A 38 2.224 8.058 -4.647 1.00 0.00 O ATOM 606 CB ARG A 38 2.491 4.902 -4.396 1.00 0.00 C ATOM 607 CG ARG A 38 2.731 3.649 -3.566 1.00 0.00 C ATOM 608 CD ARG A 38 4.192 3.232 -3.593 1.00 0.00 C ATOM 609 NE ARG A 38 4.580 2.524 -2.375 1.00 0.00 N ATOM 610 CZ ARG A 38 5.715 1.839 -2.245 1.00 0.00 C ATOM 611 NH1 ARG A 38 6.573 1.765 -3.253 1.00 0.00 N ATOM 612 NH2 ARG A 38 5.989 1.225 -1.102 1.00 0.00 N ATOM 0 H ARG A 38 0.230 4.367 -3.580 1.00 0.00 H new ATOM 0 HA ARG A 38 2.111 6.280 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.025 4.619 -5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.451 5.357 -4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.422 3.829 -2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.113 2.836 -3.946 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.371 2.592 -4.457 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.819 4.115 -3.715 1.00 0.00 H new ATOM 0 HE ARG A 38 3.945 2.556 -1.578 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.366 2.234 -4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.440 1.239 -3.147 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.331 1.278 -0.324 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.858 0.700 -1.001 1.00 0.00 H new ATOM 626 N LYS A 39 0.292 7.138 -5.346 1.00 0.00 N ATOM 627 CA LYS A 39 -0.025 8.231 -6.259 1.00 0.00 C ATOM 628 C LYS A 39 0.991 8.302 -7.397 1.00 0.00 C ATOM 629 O LYS A 39 0.720 7.855 -8.511 1.00 0.00 O ATOM 630 CB LYS A 39 -0.067 9.564 -5.504 1.00 0.00 C ATOM 631 CG LYS A 39 -1.446 10.201 -5.471 1.00 0.00 C ATOM 632 CD LYS A 39 -2.417 9.380 -4.636 1.00 0.00 C ATOM 633 CE LYS A 39 -2.260 9.671 -3.153 1.00 0.00 C ATOM 634 NZ LYS A 39 -2.880 8.611 -2.310 1.00 0.00 N ATOM 0 H LYS A 39 -0.401 6.390 -5.328 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.008 8.039 -6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.275 9.404 -4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.633 10.258 -5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.373 11.208 -5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.829 10.297 -6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.439 9.599 -4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.249 8.319 -4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.201 9.755 -2.910 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.717 10.633 -2.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.417 9.052 -1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.521 8.035 -2.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.135 8.004 -1.912 1.00 0.00 H new ATOM 648 N LYS A 40 2.159 8.866 -7.107 1.00 0.00 N ATOM 649 CA LYS A 40 3.214 8.992 -8.106 1.00 0.00 C ATOM 650 C LYS A 40 4.188 7.822 -8.017 1.00 0.00 C ATOM 651 O LYS A 40 4.683 7.494 -6.939 1.00 0.00 O ATOM 652 CB LYS A 40 3.966 10.311 -7.923 1.00 0.00 C ATOM 653 CG LYS A 40 4.842 10.681 -9.110 1.00 0.00 C ATOM 654 CD LYS A 40 5.275 12.138 -9.051 1.00 0.00 C ATOM 655 CE LYS A 40 5.160 12.808 -10.410 1.00 0.00 C ATOM 656 NZ LYS A 40 6.360 12.558 -11.258 1.00 0.00 N ATOM 0 H LYS A 40 2.399 9.243 -6.190 1.00 0.00 H new ATOM 0 HA LYS A 40 2.749 8.982 -9.092 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.245 11.110 -7.751 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.587 10.245 -7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.723 10.039 -9.128 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.297 10.500 -10.036 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.660 12.673 -8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.305 12.199 -8.700 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.271 12.440 -10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.028 13.882 -10.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.617 13.431 -11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.154 12.259 -10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.148 11.810 -11.948 1.00 0.00 H new ATOM 670 N MET A 41 4.458 7.196 -9.158 1.00 0.00 N ATOM 671 CA MET A 41 5.373 6.063 -9.206 1.00 0.00 C ATOM 672 C MET A 41 6.150 6.045 -10.519 1.00 0.00 C ATOM 673 O MET A 41 5.671 6.534 -11.542 1.00 0.00 O ATOM 674 CB MET A 41 4.603 4.752 -9.036 1.00 0.00 C ATOM 675 CG MET A 41 5.268 3.776 -8.079 1.00 0.00 C ATOM 676 SD MET A 41 4.100 2.605 -7.360 1.00 0.00 S ATOM 677 CE MET A 41 5.200 1.267 -6.907 1.00 0.00 C ATOM 0 H MET A 41 4.057 7.454 -10.060 1.00 0.00 H new ATOM 0 HA MET A 41 6.084 6.167 -8.387 1.00 0.00 H new ATOM 0 HB2 MET A 41 3.599 4.974 -8.675 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.494 4.275 -10.010 1.00 0.00 H new ATOM 0 HG2 MET A 41 6.047 3.228 -8.608 1.00 0.00 H new ATOM 0 HG3 MET A 41 5.757 4.333 -7.280 1.00 0.00 H new ATOM 0 HE1 MET A 41 4.634 0.338 -6.838 1.00 0.00 H new ATOM 0 HE2 MET A 41 5.977 1.163 -7.664 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.660 1.484 -5.943 1.00 0.00 H new ATOM 687 N GLN A 42 7.350 5.475 -10.482 1.00 0.00 N ATOM 688 CA GLN A 42 8.194 5.391 -11.668 1.00 0.00 C ATOM 689 C GLN A 42 7.904 4.113 -12.448 1.00 0.00 C ATOM 690 O GLN A 42 7.078 3.297 -12.039 1.00 0.00 O ATOM 691 CB GLN A 42 9.671 5.443 -11.272 1.00 0.00 C ATOM 692 CG GLN A 42 10.479 6.458 -12.066 1.00 0.00 C ATOM 693 CD GLN A 42 11.904 6.004 -12.311 1.00 0.00 C ATOM 694 OE1 GLN A 42 12.373 5.037 -11.711 1.00 0.00 O ATOM 695 NE2 GLN A 42 12.603 6.703 -13.198 1.00 0.00 N ATOM 0 H GLN A 42 7.760 5.064 -9.643 1.00 0.00 H new ATOM 0 HA GLN A 42 7.970 6.244 -12.309 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.746 5.681 -10.211 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.110 4.455 -11.408 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.989 6.638 -13.023 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.491 7.407 -11.530 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.175 7.498 -13.673 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.568 6.445 -13.405 1.00 0.00 H new ATOM 704 N HIS A 43 8.589 3.946 -13.575 1.00 0.00 N ATOM 705 CA HIS A 43 8.404 2.768 -14.414 1.00 0.00 C ATOM 706 C HIS A 43 8.948 1.518 -13.728 1.00 0.00 C ATOM 707 O HIS A 43 8.298 0.473 -13.715 1.00 0.00 O ATOM 708 CB HIS A 43 9.096 2.965 -15.763 1.00 0.00 C ATOM 709 CG HIS A 43 8.622 2.020 -16.824 1.00 0.00 C ATOM 710 ND1 HIS A 43 7.548 1.173 -16.652 1.00 0.00 N ATOM 711 CD2 HIS A 43 9.083 1.792 -18.077 1.00 0.00 C ATOM 712 CE1 HIS A 43 7.369 0.465 -17.754 1.00 0.00 C ATOM 713 NE2 HIS A 43 8.286 0.822 -18.633 1.00 0.00 N ATOM 0 H HIS A 43 9.277 4.611 -13.928 1.00 0.00 H new ATOM 0 HA HIS A 43 7.335 2.634 -14.577 1.00 0.00 H new ATOM 0 HB2 HIS A 43 8.932 3.988 -16.100 1.00 0.00 H new ATOM 0 HB3 HIS A 43 10.171 2.841 -15.632 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.921 2.282 -18.550 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.602 -0.280 -17.909 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.387 0.439 -19.573 1.00 0.00 H new ATOM 722 N ASN A 44 10.145 1.633 -13.162 1.00 0.00 N ATOM 723 CA ASN A 44 10.779 0.511 -12.478 1.00 0.00 C ATOM 724 C ASN A 44 10.118 0.249 -11.127 1.00 0.00 C ATOM 725 O ASN A 44 9.894 -0.901 -10.748 1.00 0.00 O ATOM 726 CB ASN A 44 12.271 0.784 -12.281 1.00 0.00 C ATOM 727 CG ASN A 44 13.108 0.284 -13.442 1.00 0.00 C ATOM 728 OD1 ASN A 44 12.867 0.640 -14.595 1.00 0.00 O ATOM 729 ND2 ASN A 44 14.098 -0.548 -13.141 1.00 0.00 N ATOM 0 H ASN A 44 10.696 2.492 -13.163 1.00 0.00 H new ATOM 0 HA ASN A 44 10.656 -0.375 -13.100 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.428 1.856 -12.158 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.607 0.305 -11.361 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.695 -0.919 -13.880 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.262 -0.816 -12.171 1.00 0.00 H new ATOM 736 N VAL A 45 9.809 1.320 -10.404 1.00 0.00 N ATOM 737 CA VAL A 45 9.175 1.203 -9.095 1.00 0.00 C ATOM 738 C VAL A 45 7.870 0.420 -9.184 1.00 0.00 C ATOM 739 O VAL A 45 7.652 -0.528 -8.429 1.00 0.00 O ATOM 740 CB VAL A 45 8.891 2.588 -8.484 1.00 0.00 C ATOM 741 CG1 VAL A 45 8.390 2.449 -7.054 1.00 0.00 C ATOM 742 CG2 VAL A 45 10.136 3.461 -8.536 1.00 0.00 C ATOM 0 H VAL A 45 9.987 2.279 -10.702 1.00 0.00 H new ATOM 0 HA VAL A 45 9.873 0.667 -8.452 1.00 0.00 H new ATOM 0 HB VAL A 45 8.111 3.071 -9.073 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.195 3.438 -6.639 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.470 1.864 -7.046 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.146 1.945 -6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.916 4.435 -8.100 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.938 2.984 -7.973 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.447 3.590 -9.573 1.00 0.00 H new ATOM 752 N LEU A 46 7.006 0.820 -10.111 1.00 0.00 N ATOM 753 CA LEU A 46 5.723 0.154 -10.298 1.00 0.00 C ATOM 754 C LEU A 46 5.923 -1.317 -10.653 1.00 0.00 C ATOM 755 O LEU A 46 5.315 -2.199 -10.050 1.00 0.00 O ATOM 756 CB LEU A 46 4.919 0.851 -11.398 1.00 0.00 C ATOM 757 CG LEU A 46 3.425 0.523 -11.416 1.00 0.00 C ATOM 758 CD1 LEU A 46 2.652 1.500 -10.544 1.00 0.00 C ATOM 759 CD2 LEU A 46 2.894 0.541 -12.841 1.00 0.00 C ATOM 0 H LEU A 46 7.171 1.602 -10.744 1.00 0.00 H new ATOM 0 HA LEU A 46 5.170 0.213 -9.361 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.037 1.929 -11.286 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.346 0.582 -12.364 1.00 0.00 H new ATOM 0 HG LEU A 46 3.287 -0.479 -11.010 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.591 1.250 -10.570 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.015 1.437 -9.518 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.795 2.514 -10.918 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.830 0.306 -12.836 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.045 1.530 -13.273 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.427 -0.200 -13.437 1.00 0.00 H new ATOM 771 N VAL A 47 6.781 -1.569 -11.635 1.00 0.00 N ATOM 772 CA VAL A 47 7.065 -2.930 -12.073 1.00 0.00 C ATOM 773 C VAL A 47 7.671 -3.755 -10.940 1.00 0.00 C ATOM 774 O VAL A 47 7.248 -4.882 -10.684 1.00 0.00 O ATOM 775 CB VAL A 47 8.029 -2.940 -13.276 1.00 0.00 C ATOM 776 CG1 VAL A 47 8.257 -4.358 -13.778 1.00 0.00 C ATOM 777 CG2 VAL A 47 7.497 -2.054 -14.392 1.00 0.00 C ATOM 0 H VAL A 47 7.292 -0.848 -12.143 1.00 0.00 H new ATOM 0 HA VAL A 47 6.116 -3.374 -12.374 1.00 0.00 H new ATOM 0 HB VAL A 47 8.988 -2.541 -12.947 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.941 -4.338 -14.627 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.688 -4.962 -12.979 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.306 -4.792 -14.088 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.190 -2.073 -15.233 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.523 -2.422 -14.716 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.396 -1.032 -14.028 1.00 0.00 H new ATOM 787 N ALA A 48 8.667 -3.187 -10.268 1.00 0.00 N ATOM 788 CA ALA A 48 9.334 -3.868 -9.166 1.00 0.00 C ATOM 789 C ALA A 48 8.359 -4.179 -8.035 1.00 0.00 C ATOM 790 O ALA A 48 8.315 -5.301 -7.532 1.00 0.00 O ATOM 791 CB ALA A 48 10.489 -3.025 -8.649 1.00 0.00 C ATOM 0 H ALA A 48 9.030 -2.255 -10.468 1.00 0.00 H new ATOM 0 HA ALA A 48 9.724 -4.814 -9.542 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.979 -3.545 -7.826 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.207 -2.860 -9.452 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.110 -2.065 -8.298 1.00 0.00 H new ATOM 797 N GLU A 49 7.581 -3.178 -7.638 1.00 0.00 N ATOM 798 CA GLU A 49 6.609 -3.343 -6.563 1.00 0.00 C ATOM 799 C GLU A 49 5.564 -4.395 -6.921 1.00 0.00 C ATOM 800 O GLU A 49 5.328 -5.332 -6.159 1.00 0.00 O ATOM 801 CB GLU A 49 5.926 -2.009 -6.257 1.00 0.00 C ATOM 802 CG GLU A 49 6.626 -1.203 -5.175 1.00 0.00 C ATOM 803 CD GLU A 49 6.448 -1.803 -3.793 1.00 0.00 C ATOM 804 OE1 GLU A 49 6.911 -2.943 -3.577 1.00 0.00 O ATOM 805 OE2 GLU A 49 5.845 -1.133 -2.929 1.00 0.00 O ATOM 0 H GLU A 49 7.604 -2.243 -8.045 1.00 0.00 H new ATOM 0 HA GLU A 49 7.144 -3.683 -5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.881 -1.415 -7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.898 -2.199 -5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.690 -1.140 -5.405 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.238 -0.184 -5.178 1.00 0.00 H new ATOM 812 N VAL A 50 4.938 -4.233 -8.082 1.00 0.00 N ATOM 813 CA VAL A 50 3.915 -5.170 -8.535 1.00 0.00 C ATOM 814 C VAL A 50 4.487 -6.575 -8.699 1.00 0.00 C ATOM 815 O VAL A 50 3.927 -7.547 -8.194 1.00 0.00 O ATOM 816 CB VAL A 50 3.292 -4.722 -9.872 1.00 0.00 C ATOM 817 CG1 VAL A 50 2.144 -5.642 -10.263 1.00 0.00 C ATOM 818 CG2 VAL A 50 2.819 -3.279 -9.785 1.00 0.00 C ATOM 0 H VAL A 50 5.120 -3.463 -8.726 1.00 0.00 H new ATOM 0 HA VAL A 50 3.140 -5.184 -7.769 1.00 0.00 H new ATOM 0 HB VAL A 50 4.058 -4.784 -10.645 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.717 -5.309 -11.209 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.515 -6.661 -10.371 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.376 -5.615 -9.490 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.382 -2.981 -10.738 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.070 -3.189 -8.999 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.666 -2.632 -9.556 1.00 0.00 H new ATOM 828 N THR A 51 5.605 -6.675 -9.412 1.00 0.00 N ATOM 829 CA THR A 51 6.250 -7.962 -9.646 1.00 0.00 C ATOM 830 C THR A 51 6.658 -8.620 -8.332 1.00 0.00 C ATOM 831 O THR A 51 6.584 -9.841 -8.190 1.00 0.00 O ATOM 832 CB THR A 51 7.478 -7.782 -10.542 1.00 0.00 C ATOM 833 OG1 THR A 51 7.126 -7.131 -11.750 1.00 0.00 O ATOM 834 CG2 THR A 51 8.150 -9.088 -10.905 1.00 0.00 C ATOM 0 H THR A 51 6.083 -5.880 -9.837 1.00 0.00 H new ATOM 0 HA THR A 51 5.532 -8.612 -10.146 1.00 0.00 H new ATOM 0 HB THR A 51 8.176 -7.182 -9.958 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.385 -6.187 -11.700 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.013 -8.889 -11.541 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.478 -9.593 -9.997 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.444 -9.724 -11.439 1.00 0.00 H new ATOM 842 N GLN A 52 7.093 -7.807 -7.375 1.00 0.00 N ATOM 843 CA GLN A 52 7.516 -8.314 -6.074 1.00 0.00 C ATOM 844 C GLN A 52 6.315 -8.563 -5.166 1.00 0.00 C ATOM 845 O GLN A 52 6.343 -9.451 -4.314 1.00 0.00 O ATOM 846 CB GLN A 52 8.478 -7.329 -5.407 1.00 0.00 C ATOM 847 CG GLN A 52 9.857 -7.298 -6.046 1.00 0.00 C ATOM 848 CD GLN A 52 10.813 -8.294 -5.419 1.00 0.00 C ATOM 849 OE1 GLN A 52 10.990 -9.403 -5.923 1.00 0.00 O ATOM 850 NE2 GLN A 52 11.434 -7.902 -4.313 1.00 0.00 N ATOM 0 H GLN A 52 7.162 -6.794 -7.476 1.00 0.00 H new ATOM 0 HA GLN A 52 8.029 -9.262 -6.233 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.046 -6.329 -5.446 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.580 -7.591 -4.354 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.765 -7.510 -7.111 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.273 -6.294 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.257 -6.973 -3.930 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.088 -8.530 -3.846 1.00 0.00 H new ATOM 859 N GLN A 53 5.265 -7.771 -5.351 1.00 0.00 N ATOM 860 CA GLN A 53 4.056 -7.904 -4.545 1.00 0.00 C ATOM 861 C GLN A 53 3.285 -9.166 -4.920 1.00 0.00 C ATOM 862 O GLN A 53 2.679 -9.811 -4.065 1.00 0.00 O ATOM 863 CB GLN A 53 3.162 -6.674 -4.723 1.00 0.00 C ATOM 864 CG GLN A 53 3.413 -5.587 -3.690 1.00 0.00 C ATOM 865 CD GLN A 53 2.857 -4.242 -4.115 1.00 0.00 C ATOM 866 OE1 GLN A 53 1.746 -4.153 -4.637 1.00 0.00 O ATOM 867 NE2 GLN A 53 3.631 -3.185 -3.892 1.00 0.00 N ATOM 0 H GLN A 53 5.226 -7.030 -6.051 1.00 0.00 H new ATOM 0 HA GLN A 53 4.354 -7.981 -3.499 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.320 -6.261 -5.719 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.118 -6.982 -4.668 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.962 -5.880 -2.742 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.485 -5.495 -3.517 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.545 -3.305 -3.456 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.311 -2.253 -4.156 1.00 0.00 H new ATOM 876 N LEU A 54 3.313 -9.511 -6.203 1.00 0.00 N ATOM 877 CA LEU A 54 2.614 -10.695 -6.690 1.00 0.00 C ATOM 878 C LEU A 54 3.593 -11.827 -6.983 1.00 0.00 C ATOM 879 O LEU A 54 3.352 -12.657 -7.859 1.00 0.00 O ATOM 880 CB LEU A 54 1.814 -10.357 -7.948 1.00 0.00 C ATOM 881 CG LEU A 54 0.848 -9.180 -7.804 1.00 0.00 C ATOM 882 CD1 LEU A 54 0.552 -8.562 -9.161 1.00 0.00 C ATOM 883 CD2 LEU A 54 -0.439 -9.627 -7.127 1.00 0.00 C ATOM 0 H LEU A 54 3.811 -8.989 -6.923 1.00 0.00 H new ATOM 0 HA LEU A 54 1.929 -11.028 -5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.512 -10.138 -8.756 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.247 -11.238 -8.247 1.00 0.00 H new ATOM 0 HG LEU A 54 1.320 -8.422 -7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.137 -7.726 -9.038 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.480 -8.205 -9.608 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.101 -9.311 -9.811 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.115 -8.777 -7.033 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.914 -10.404 -7.726 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.211 -10.021 -6.137 1.00 0.00 H new ATOM 895 N LYS A 55 4.698 -11.854 -6.245 1.00 0.00 N ATOM 896 CA LYS A 55 5.712 -12.886 -6.427 1.00 0.00 C ATOM 897 C LYS A 55 5.631 -13.930 -5.317 1.00 0.00 C ATOM 898 O LYS A 55 6.639 -14.524 -4.934 1.00 0.00 O ATOM 899 CB LYS A 55 7.108 -12.258 -6.457 1.00 0.00 C ATOM 900 CG LYS A 55 7.882 -12.558 -7.730 1.00 0.00 C ATOM 901 CD LYS A 55 9.378 -12.637 -7.469 1.00 0.00 C ATOM 902 CE LYS A 55 9.997 -13.859 -8.129 1.00 0.00 C ATOM 903 NZ LYS A 55 11.455 -13.684 -8.367 1.00 0.00 N ATOM 0 H LYS A 55 4.914 -11.174 -5.516 1.00 0.00 H new ATOM 0 HA LYS A 55 5.525 -13.382 -7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.014 -11.178 -6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.678 -12.619 -5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.536 -13.501 -8.154 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.681 -11.783 -8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.862 -11.735 -7.845 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.559 -12.672 -6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.835 -14.733 -7.498 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.495 -14.052 -9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.838 -14.539 -8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.609 -12.865 -8.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.938 -13.525 -7.460 1.00 0.00 H new ATOM 917 N ALA A 56 4.424 -14.149 -4.804 1.00 0.00 N ATOM 918 CA ALA A 56 4.211 -15.121 -3.739 1.00 0.00 C ATOM 919 C ALA A 56 3.413 -16.319 -4.240 1.00 0.00 C ATOM 920 O ALA A 56 3.612 -17.445 -3.785 1.00 0.00 O ATOM 921 CB ALA A 56 3.501 -14.466 -2.563 1.00 0.00 C ATOM 0 H ALA A 56 3.579 -13.666 -5.109 1.00 0.00 H new ATOM 0 HA ALA A 56 5.185 -15.480 -3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.348 -15.203 -1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.110 -13.647 -2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.536 -14.079 -2.890 1.00 0.00 H new ATOM 927 N ARG A 57 2.509 -16.069 -5.181 1.00 0.00 N ATOM 928 CA ARG A 57 1.680 -17.128 -5.745 1.00 0.00 C ATOM 929 C ARG A 57 2.175 -17.527 -7.131 1.00 0.00 C ATOM 930 O ARG A 57 2.298 -18.712 -7.440 1.00 0.00 O ATOM 931 CB ARG A 57 0.220 -16.675 -5.824 1.00 0.00 C ATOM 932 CG ARG A 57 -0.777 -17.780 -5.522 1.00 0.00 C ATOM 933 CD ARG A 57 -2.036 -17.639 -6.362 1.00 0.00 C ATOM 934 NE ARG A 57 -3.168 -18.355 -5.777 1.00 0.00 N ATOM 935 CZ ARG A 57 -3.308 -19.679 -5.817 1.00 0.00 C ATOM 936 NH1 ARG A 57 -2.392 -20.432 -6.412 1.00 0.00 N ATOM 937 NH2 ARG A 57 -4.366 -20.250 -5.259 1.00 0.00 N ATOM 0 H ARG A 57 2.332 -15.143 -5.569 1.00 0.00 H new ATOM 0 HA ARG A 57 1.749 -17.996 -5.090 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.064 -15.855 -5.123 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.024 -16.283 -6.822 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.317 -18.749 -5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.039 -17.756 -4.464 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.288 -16.583 -6.463 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.846 -18.019 -7.366 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.893 -17.809 -5.311 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.575 -19.998 -6.842 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.504 -21.445 -6.440 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.072 -19.676 -4.799 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.474 -21.264 -5.289 1.00 0.00 H new ATOM 951 N PHE A 58 2.460 -16.530 -7.962 1.00 0.00 N ATOM 952 CA PHE A 58 2.943 -16.776 -9.316 1.00 0.00 C ATOM 953 C PHE A 58 4.178 -15.931 -9.614 1.00 0.00 C ATOM 954 O PHE A 58 4.632 -15.158 -8.770 1.00 0.00 O ATOM 955 CB PHE A 58 1.845 -16.472 -10.336 1.00 0.00 C ATOM 956 CG PHE A 58 1.143 -15.166 -10.092 1.00 0.00 C ATOM 957 CD1 PHE A 58 0.043 -15.104 -9.250 1.00 0.00 C ATOM 958 CD2 PHE A 58 1.583 -14.004 -10.702 1.00 0.00 C ATOM 959 CE1 PHE A 58 -0.604 -13.904 -9.024 1.00 0.00 C ATOM 960 CE2 PHE A 58 0.939 -12.801 -10.479 1.00 0.00 C ATOM 961 CZ PHE A 58 -0.156 -12.751 -9.638 1.00 0.00 C ATOM 0 H PHE A 58 2.365 -15.543 -7.721 1.00 0.00 H new ATOM 0 HA PHE A 58 3.217 -17.828 -9.391 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.282 -16.459 -11.335 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.111 -17.278 -10.319 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.311 -16.002 -8.766 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.439 -14.037 -11.360 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.460 -13.868 -8.367 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.292 -11.901 -10.962 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.660 -11.813 -9.461 1.00 0.00 H new ATOM 971 N LEU A 59 4.716 -16.084 -10.820 1.00 0.00 N ATOM 972 CA LEU A 59 5.898 -15.335 -11.230 1.00 0.00 C ATOM 973 C LEU A 59 5.532 -14.251 -12.242 1.00 0.00 C ATOM 974 O LEU A 59 5.580 -14.479 -13.451 1.00 0.00 O ATOM 975 CB LEU A 59 6.943 -16.278 -11.829 1.00 0.00 C ATOM 976 CG LEU A 59 7.431 -17.383 -10.891 1.00 0.00 C ATOM 977 CD1 LEU A 59 8.164 -18.462 -11.674 1.00 0.00 C ATOM 978 CD2 LEU A 59 8.329 -16.802 -9.809 1.00 0.00 C ATOM 0 H LEU A 59 4.352 -16.720 -11.530 1.00 0.00 H new ATOM 0 HA LEU A 59 6.318 -14.854 -10.346 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.523 -16.740 -12.723 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.802 -15.688 -12.149 1.00 0.00 H new ATOM 0 HG LEU A 59 6.564 -17.838 -10.411 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.504 -19.240 -10.990 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.490 -18.897 -12.412 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.023 -18.023 -12.181 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.668 -17.601 -9.150 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.192 -16.322 -10.271 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.771 -16.066 -9.230 1.00 0.00 H new ATOM 990 N PRO A 60 5.162 -13.053 -11.758 1.00 0.00 N ATOM 991 CA PRO A 60 4.788 -11.933 -12.628 1.00 0.00 C ATOM 992 C PRO A 60 5.984 -11.360 -13.379 1.00 0.00 C ATOM 993 O PRO A 60 7.116 -11.413 -12.898 1.00 0.00 O ATOM 994 CB PRO A 60 4.224 -10.899 -11.652 1.00 0.00 C ATOM 995 CG PRO A 60 4.882 -11.207 -10.352 1.00 0.00 C ATOM 996 CD PRO A 60 5.078 -12.697 -10.329 1.00 0.00 C ATOM 0 HA PRO A 60 4.084 -12.236 -13.403 1.00 0.00 H new ATOM 0 HB2 PRO A 60 4.448 -9.883 -11.978 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.140 -10.977 -11.575 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.836 -10.687 -10.265 1.00 0.00 H new ATOM 0 HG3 PRO A 60 4.264 -10.882 -9.515 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.985 -12.975 -9.792 1.00 0.00 H new ATOM 0 HD3 PRO A 60 4.248 -13.204 -9.837 1.00 0.00 H new ATOM 1004 N SER A 61 5.726 -10.812 -14.562 1.00 0.00 N ATOM 1005 CA SER A 61 6.781 -10.228 -15.380 1.00 0.00 C ATOM 1006 C SER A 61 6.350 -8.874 -15.937 1.00 0.00 C ATOM 1007 O SER A 61 5.163 -8.633 -16.153 1.00 0.00 O ATOM 1008 CB SER A 61 7.148 -11.172 -16.528 1.00 0.00 C ATOM 1009 OG SER A 61 5.990 -11.772 -17.083 1.00 0.00 O ATOM 0 H SER A 61 4.795 -10.760 -14.975 1.00 0.00 H new ATOM 0 HA SER A 61 7.657 -10.079 -14.748 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.682 -10.619 -17.301 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.824 -11.946 -16.165 1.00 0.00 H new ATOM 0 HG SER A 61 6.250 -12.369 -17.815 1.00 0.00 H new ATOM 1015 N PRO A 62 7.314 -7.968 -16.178 1.00 0.00 N ATOM 1016 CA PRO A 62 7.028 -6.633 -16.712 1.00 0.00 C ATOM 1017 C PRO A 62 6.315 -6.689 -18.056 1.00 0.00 C ATOM 1018 O PRO A 62 5.523 -5.806 -18.389 1.00 0.00 O ATOM 1019 CB PRO A 62 8.411 -5.993 -16.872 1.00 0.00 C ATOM 1020 CG PRO A 62 9.381 -7.127 -16.825 1.00 0.00 C ATOM 1021 CD PRO A 62 8.753 -8.173 -15.951 1.00 0.00 C ATOM 0 HA PRO A 62 6.363 -6.073 -16.054 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.486 -5.451 -17.814 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.606 -5.276 -16.075 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.573 -7.518 -17.824 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.340 -6.804 -16.419 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.068 -9.178 -16.233 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.020 -8.038 -14.903 1.00 0.00 H new ATOM 1029 N VAL A 63 6.607 -7.733 -18.826 1.00 0.00 N ATOM 1030 CA VAL A 63 6.001 -7.919 -20.144 1.00 0.00 C ATOM 1031 C VAL A 63 4.508 -7.600 -20.124 1.00 0.00 C ATOM 1032 O VAL A 63 4.064 -6.625 -20.730 1.00 0.00 O ATOM 1033 CB VAL A 63 6.198 -9.360 -20.654 1.00 0.00 C ATOM 1034 CG1 VAL A 63 5.725 -9.488 -22.093 1.00 0.00 C ATOM 1035 CG2 VAL A 63 7.656 -9.776 -20.527 1.00 0.00 C ATOM 0 H VAL A 63 7.263 -8.467 -18.560 1.00 0.00 H new ATOM 0 HA VAL A 63 6.505 -7.227 -20.819 1.00 0.00 H new ATOM 0 HB VAL A 63 5.597 -10.028 -20.038 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.872 -10.513 -22.435 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.667 -9.235 -22.152 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.296 -8.809 -22.726 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.776 -10.796 -20.892 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.279 -9.104 -21.117 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.959 -9.727 -19.481 1.00 0.00 H new ATOM 1045 N VAL A 64 3.738 -8.424 -19.420 1.00 0.00 N ATOM 1046 CA VAL A 64 2.299 -8.221 -19.318 1.00 0.00 C ATOM 1047 C VAL A 64 1.987 -6.906 -18.613 1.00 0.00 C ATOM 1048 O VAL A 64 0.991 -6.247 -18.912 1.00 0.00 O ATOM 1049 CB VAL A 64 1.621 -9.375 -18.558 1.00 0.00 C ATOM 1050 CG1 VAL A 64 1.732 -10.671 -19.343 1.00 0.00 C ATOM 1051 CG2 VAL A 64 2.227 -9.528 -17.170 1.00 0.00 C ATOM 0 H VAL A 64 4.087 -9.237 -18.913 1.00 0.00 H new ATOM 0 HA VAL A 64 1.906 -8.191 -20.334 1.00 0.00 H new ATOM 0 HB VAL A 64 0.563 -9.139 -18.444 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.247 -11.475 -18.789 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.246 -10.553 -20.311 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.783 -10.917 -19.493 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.736 -10.348 -16.647 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.292 -9.741 -17.260 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.088 -8.604 -16.608 1.00 0.00 H new ATOM 1061 N ILE A 65 2.852 -6.530 -17.677 1.00 0.00 N ATOM 1062 CA ILE A 65 2.684 -5.293 -16.925 1.00 0.00 C ATOM 1063 C ILE A 65 2.680 -4.087 -17.861 1.00 0.00 C ATOM 1064 O ILE A 65 1.871 -3.171 -17.708 1.00 0.00 O ATOM 1065 CB ILE A 65 3.803 -5.136 -15.869 1.00 0.00 C ATOM 1066 CG1 ILE A 65 3.592 -6.130 -14.726 1.00 0.00 C ATOM 1067 CG2 ILE A 65 3.866 -3.712 -15.330 1.00 0.00 C ATOM 1068 CD1 ILE A 65 4.860 -6.464 -13.971 1.00 0.00 C ATOM 0 H ILE A 65 3.680 -7.068 -17.421 1.00 0.00 H new ATOM 0 HA ILE A 65 1.723 -5.342 -16.412 1.00 0.00 H new ATOM 0 HB ILE A 65 4.755 -5.349 -16.355 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.862 -5.719 -14.029 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.166 -7.049 -15.129 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.663 -3.638 -14.590 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.066 -3.021 -16.149 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.914 -3.457 -14.864 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.634 -7.174 -13.176 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.585 -6.905 -14.655 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.276 -5.554 -13.538 1.00 0.00 H new ATOM 1080 N LYS A 66 3.589 -4.093 -18.831 1.00 0.00 N ATOM 1081 CA LYS A 66 3.691 -3.000 -19.792 1.00 0.00 C ATOM 1082 C LYS A 66 2.369 -2.794 -20.526 1.00 0.00 C ATOM 1083 O LYS A 66 1.949 -1.661 -20.762 1.00 0.00 O ATOM 1084 CB LYS A 66 4.807 -3.282 -20.799 1.00 0.00 C ATOM 1085 CG LYS A 66 6.203 -3.156 -20.211 1.00 0.00 C ATOM 1086 CD LYS A 66 7.272 -3.251 -21.286 1.00 0.00 C ATOM 1087 CE LYS A 66 7.572 -4.697 -21.648 1.00 0.00 C ATOM 1088 NZ LYS A 66 8.964 -4.871 -22.148 1.00 0.00 N ATOM 0 H LYS A 66 4.266 -4.843 -18.972 1.00 0.00 H new ATOM 0 HA LYS A 66 3.927 -2.088 -19.243 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.679 -4.288 -21.198 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.711 -2.592 -21.637 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.294 -2.203 -19.689 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.359 -3.941 -19.471 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.944 -2.713 -22.175 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.184 -2.765 -20.938 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.420 -5.329 -20.773 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.869 -5.033 -22.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.126 -5.871 -22.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.103 -4.289 -22.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.637 -4.575 -21.412 1.00 0.00 H new ATOM 1102 N LYS A 67 1.718 -3.896 -20.883 1.00 0.00 N ATOM 1103 CA LYS A 67 0.443 -3.836 -21.588 1.00 0.00 C ATOM 1104 C LYS A 67 -0.660 -3.313 -20.673 1.00 0.00 C ATOM 1105 O LYS A 67 -1.602 -2.663 -21.128 1.00 0.00 O ATOM 1106 CB LYS A 67 0.067 -5.218 -22.123 1.00 0.00 C ATOM 1107 CG LYS A 67 -0.591 -5.181 -23.494 1.00 0.00 C ATOM 1108 CD LYS A 67 -2.083 -5.464 -23.406 1.00 0.00 C ATOM 1109 CE LYS A 67 -2.897 -4.179 -23.419 1.00 0.00 C ATOM 1110 NZ LYS A 67 -3.903 -4.147 -22.322 1.00 0.00 N ATOM 0 H LYS A 67 2.052 -4.841 -20.696 1.00 0.00 H new ATOM 0 HA LYS A 67 0.551 -3.148 -22.426 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.964 -5.834 -22.176 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.609 -5.700 -21.417 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.432 -4.203 -23.949 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.118 -5.916 -24.145 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.384 -6.095 -24.242 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.295 -6.021 -22.493 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.227 -3.324 -23.322 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.404 -4.080 -24.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.577 -3.373 -22.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.415 -5.052 -22.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.421 -3.994 -21.413 1.00 0.00 H new ATOM 1124 N ARG A 68 -0.535 -3.601 -19.381 1.00 0.00 N ATOM 1125 CA ARG A 68 -1.520 -3.159 -18.401 1.00 0.00 C ATOM 1126 C ARG A 68 -1.471 -1.645 -18.225 1.00 0.00 C ATOM 1127 O ARG A 68 -2.503 -0.995 -18.060 1.00 0.00 O ATOM 1128 CB ARG A 68 -1.278 -3.851 -17.057 1.00 0.00 C ATOM 1129 CG ARG A 68 -2.196 -5.037 -16.809 1.00 0.00 C ATOM 1130 CD ARG A 68 -2.024 -6.110 -17.872 1.00 0.00 C ATOM 1131 NE ARG A 68 -3.207 -6.233 -18.722 1.00 0.00 N ATOM 1132 CZ ARG A 68 -3.208 -6.838 -19.908 1.00 0.00 C ATOM 1133 NH1 ARG A 68 -2.094 -7.376 -20.387 1.00 0.00 N ATOM 1134 NH2 ARG A 68 -4.328 -6.905 -20.615 1.00 0.00 N ATOM 0 H ARG A 68 0.238 -4.138 -18.989 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.510 -3.431 -18.768 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.242 -4.188 -17.013 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.411 -3.125 -16.255 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.987 -5.460 -15.827 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.232 -4.699 -16.796 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.157 -5.873 -18.489 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.822 -7.067 -17.392 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.083 -5.832 -18.387 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.231 -7.327 -19.846 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.101 -7.838 -21.296 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.187 -6.493 -20.250 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.330 -7.368 -21.524 1.00 0.00 H new ATOM 1148 N ILE A 69 -0.265 -1.087 -18.264 1.00 0.00 N ATOM 1149 CA ILE A 69 -0.082 0.351 -18.111 1.00 0.00 C ATOM 1150 C ILE A 69 -0.715 1.109 -19.273 1.00 0.00 C ATOM 1151 O ILE A 69 -1.599 1.941 -19.074 1.00 0.00 O ATOM 1152 CB ILE A 69 1.412 0.722 -18.018 1.00 0.00 C ATOM 1153 CG1 ILE A 69 2.089 -0.070 -16.899 1.00 0.00 C ATOM 1154 CG2 ILE A 69 1.577 2.218 -17.788 1.00 0.00 C ATOM 1155 CD1 ILE A 69 3.599 -0.095 -17.004 1.00 0.00 C ATOM 0 H ILE A 69 0.600 -1.610 -18.400 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.575 0.638 -17.182 1.00 0.00 H new ATOM 0 HB ILE A 69 1.891 0.465 -18.962 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.807 0.360 -15.938 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.715 -1.094 -16.912 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.638 2.462 -17.725 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.128 2.765 -18.617 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.084 2.500 -16.857 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.012 -0.674 -16.178 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.890 -0.553 -17.949 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.984 0.924 -16.960 1.00 0.00 H new ATOM 1167 N GLU A 70 -0.258 0.814 -20.486 1.00 0.00 N ATOM 1168 CA GLU A 70 -0.781 1.466 -21.682 1.00 0.00 C ATOM 1169 C GLU A 70 -2.306 1.409 -21.711 1.00 0.00 C ATOM 1170 O GLU A 70 -2.961 2.292 -22.265 1.00 0.00 O ATOM 1171 CB GLU A 70 -0.206 0.803 -22.936 1.00 0.00 C ATOM 1172 CG GLU A 70 -0.750 1.375 -24.234 1.00 0.00 C ATOM 1173 CD GLU A 70 0.321 1.531 -25.297 1.00 0.00 C ATOM 1174 OE1 GLU A 70 1.085 0.567 -25.514 1.00 0.00 O ATOM 1175 OE2 GLU A 70 0.396 2.615 -25.911 1.00 0.00 O ATOM 0 H GLU A 70 0.474 0.127 -20.667 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.479 2.513 -21.661 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.879 0.911 -22.928 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.420 -0.265 -22.902 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.539 0.724 -24.611 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.205 2.346 -24.037 1.00 0.00 H new ATOM 1182 N GLY A 71 -2.866 0.368 -21.104 1.00 0.00 N ATOM 1183 CA GLY A 71 -4.307 0.218 -21.065 1.00 0.00 C ATOM 1184 C GLY A 71 -4.936 0.987 -19.921 1.00 0.00 C ATOM 1185 O GLY A 71 -6.041 1.513 -20.049 1.00 0.00 O ATOM 0 H GLY A 71 -2.346 -0.375 -20.638 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.731 0.563 -22.008 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.557 -0.839 -20.970 1.00 0.00 H new ATOM 1189 N LEU A 72 -4.227 1.055 -18.797 1.00 0.00 N ATOM 1190 CA LEU A 72 -4.719 1.766 -17.623 1.00 0.00 C ATOM 1191 C LEU A 72 -4.889 3.253 -17.920 1.00 0.00 C ATOM 1192 O LEU A 72 -5.810 3.896 -17.418 1.00 0.00 O ATOM 1193 CB LEU A 72 -3.761 1.575 -16.446 1.00 0.00 C ATOM 1194 CG LEU A 72 -3.847 0.212 -15.756 1.00 0.00 C ATOM 1195 CD1 LEU A 72 -2.508 -0.161 -15.140 1.00 0.00 C ATOM 1196 CD2 LEU A 72 -4.940 0.221 -14.698 1.00 0.00 C ATOM 0 H LEU A 72 -3.310 0.626 -18.676 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.693 1.352 -17.360 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.741 1.722 -16.800 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.957 2.352 -15.707 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.099 -0.539 -16.505 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.589 -1.133 -14.654 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.749 -0.208 -15.921 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.225 0.590 -14.403 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.988 -0.756 -14.217 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.717 0.983 -13.951 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.899 0.442 -15.167 1.00 0.00 H new ATOM 1208 N ILE A 73 -3.995 3.795 -18.740 1.00 0.00 N ATOM 1209 CA ILE A 73 -4.052 5.205 -19.102 1.00 0.00 C ATOM 1210 C ILE A 73 -5.235 5.488 -20.024 1.00 0.00 C ATOM 1211 O ILE A 73 -5.806 6.578 -20.000 1.00 0.00 O ATOM 1212 CB ILE A 73 -2.753 5.660 -19.795 1.00 0.00 C ATOM 1213 CG1 ILE A 73 -1.536 5.235 -18.972 1.00 0.00 C ATOM 1214 CG2 ILE A 73 -2.764 7.168 -20.003 1.00 0.00 C ATOM 1215 CD1 ILE A 73 -0.221 5.741 -19.525 1.00 0.00 C ATOM 0 H ILE A 73 -3.224 3.280 -19.165 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.175 5.766 -18.175 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.691 5.181 -20.772 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.654 5.598 -17.951 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.504 4.147 -18.922 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.840 7.474 -20.493 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.614 7.443 -20.627 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.845 7.668 -19.038 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.596 5.400 -18.889 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.079 5.357 -20.535 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.232 6.831 -19.549 1.00 0.00 H new ATOM 1227 N GLU A 74 -5.594 4.500 -20.838 1.00 0.00 N ATOM 1228 CA GLU A 74 -6.705 4.643 -21.772 1.00 0.00 C ATOM 1229 C GLU A 74 -8.049 4.582 -21.050 1.00 0.00 C ATOM 1230 O GLU A 74 -9.030 5.175 -21.497 1.00 0.00 O ATOM 1231 CB GLU A 74 -6.638 3.555 -22.847 1.00 0.00 C ATOM 1232 CG GLU A 74 -6.739 4.093 -24.264 1.00 0.00 C ATOM 1233 CD GLU A 74 -7.642 3.251 -25.145 1.00 0.00 C ATOM 1234 OE1 GLU A 74 -8.828 3.081 -24.789 1.00 0.00 O ATOM 1235 OE2 GLU A 74 -7.164 2.763 -26.190 1.00 0.00 O ATOM 0 H GLU A 74 -5.131 3.592 -20.869 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.619 5.621 -22.246 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.701 3.008 -22.741 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.444 2.841 -22.680 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.117 5.115 -24.234 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.743 4.134 -24.705 1.00 0.00 H new ATOM 1242 N ARG A 75 -8.090 3.860 -19.935 1.00 0.00 N ATOM 1243 CA ARG A 75 -9.320 3.724 -19.160 1.00 0.00 C ATOM 1244 C ARG A 75 -9.419 4.796 -18.075 1.00 0.00 C ATOM 1245 O ARG A 75 -10.235 4.687 -17.160 1.00 0.00 O ATOM 1246 CB ARG A 75 -9.398 2.333 -18.526 1.00 0.00 C ATOM 1247 CG ARG A 75 -8.207 1.996 -17.647 1.00 0.00 C ATOM 1248 CD ARG A 75 -8.505 0.824 -16.724 1.00 0.00 C ATOM 1249 NE ARG A 75 -7.825 -0.397 -17.152 1.00 0.00 N ATOM 1250 CZ ARG A 75 -8.290 -1.217 -18.091 1.00 0.00 C ATOM 1251 NH1 ARG A 75 -9.437 -0.953 -18.706 1.00 0.00 N ATOM 1252 NH2 ARG A 75 -7.606 -2.305 -18.418 1.00 0.00 N ATOM 0 H ARG A 75 -7.289 3.361 -19.548 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.158 3.856 -19.844 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.309 2.265 -17.931 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.478 1.587 -19.317 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.348 1.757 -18.274 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.935 2.868 -17.052 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.196 1.074 -15.709 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.581 0.649 -16.696 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.940 -0.635 -16.704 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.967 -0.117 -18.459 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.788 -1.586 -19.425 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.724 -2.513 -17.950 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.962 -2.934 -19.138 1.00 0.00 H new ATOM 1266 N GLU A 76 -8.592 5.833 -18.182 1.00 0.00 N ATOM 1267 CA GLU A 76 -8.600 6.921 -17.210 1.00 0.00 C ATOM 1268 C GLU A 76 -8.228 6.419 -15.816 1.00 0.00 C ATOM 1269 O GLU A 76 -9.067 6.375 -14.917 1.00 0.00 O ATOM 1270 CB GLU A 76 -9.975 7.591 -17.175 1.00 0.00 C ATOM 1271 CG GLU A 76 -9.917 9.082 -16.886 1.00 0.00 C ATOM 1272 CD GLU A 76 -10.465 9.921 -18.025 1.00 0.00 C ATOM 1273 OE1 GLU A 76 -9.966 9.778 -19.161 1.00 0.00 O ATOM 1274 OE2 GLU A 76 -11.393 10.719 -17.781 1.00 0.00 O ATOM 0 H GLU A 76 -7.909 5.942 -18.932 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.853 7.652 -17.519 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.471 7.434 -18.133 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.587 7.105 -16.415 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.483 9.294 -15.979 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.884 9.370 -16.692 1.00 0.00 H new ATOM 1281 N TYR A 77 -6.963 6.050 -15.645 1.00 0.00 N ATOM 1282 CA TYR A 77 -6.474 5.561 -14.360 1.00 0.00 C ATOM 1283 C TYR A 77 -5.058 6.061 -14.098 1.00 0.00 C ATOM 1284 O TYR A 77 -4.788 6.677 -13.067 1.00 0.00 O ATOM 1285 CB TYR A 77 -6.504 4.031 -14.319 1.00 0.00 C ATOM 1286 CG TYR A 77 -7.804 3.464 -13.796 1.00 0.00 C ATOM 1287 CD1 TYR A 77 -8.945 3.445 -14.588 1.00 0.00 C ATOM 1288 CD2 TYR A 77 -7.890 2.950 -12.509 1.00 0.00 C ATOM 1289 CE1 TYR A 77 -10.135 2.928 -14.112 1.00 0.00 C ATOM 1290 CE2 TYR A 77 -9.076 2.431 -12.025 1.00 0.00 C ATOM 1291 CZ TYR A 77 -10.196 2.423 -12.830 1.00 0.00 C ATOM 1292 OH TYR A 77 -11.378 1.908 -12.352 1.00 0.00 O ATOM 0 H TYR A 77 -6.257 6.080 -16.380 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.131 5.946 -13.580 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.327 3.646 -15.323 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.685 3.677 -13.693 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.901 3.841 -15.592 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.015 2.956 -11.875 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.013 2.919 -14.741 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.126 2.034 -11.022 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.250 1.593 -11.433 1.00 0.00 H new ATOM 1302 N LEU A 78 -4.161 5.797 -15.042 1.00 0.00 N ATOM 1303 CA LEU A 78 -2.773 6.225 -14.917 1.00 0.00 C ATOM 1304 C LEU A 78 -2.396 7.175 -16.049 1.00 0.00 C ATOM 1305 O LEU A 78 -3.163 7.367 -16.992 1.00 0.00 O ATOM 1306 CB LEU A 78 -1.839 5.013 -14.919 1.00 0.00 C ATOM 1307 CG LEU A 78 -2.252 3.878 -13.981 1.00 0.00 C ATOM 1308 CD1 LEU A 78 -1.208 2.771 -13.989 1.00 0.00 C ATOM 1309 CD2 LEU A 78 -2.461 4.405 -12.570 1.00 0.00 C ATOM 0 H LEU A 78 -4.370 5.289 -15.901 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.665 6.754 -13.970 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.779 4.621 -15.934 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.837 5.344 -14.645 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.195 3.462 -14.337 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.519 1.972 -13.316 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.106 2.375 -14.999 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.250 3.172 -13.658 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.755 3.585 -11.915 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.533 4.846 -12.205 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.245 5.162 -12.577 1.00 0.00 H new ATOM 1321 N ALA A 79 -1.212 7.770 -15.948 1.00 0.00 N ATOM 1322 CA ALA A 79 -0.739 8.701 -16.966 1.00 0.00 C ATOM 1323 C ALA A 79 0.722 9.070 -16.737 1.00 0.00 C ATOM 1324 O ALA A 79 1.185 9.140 -15.598 1.00 0.00 O ATOM 1325 CB ALA A 79 -1.604 9.952 -16.980 1.00 0.00 C ATOM 0 H ALA A 79 -0.564 7.625 -15.174 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.815 8.209 -17.935 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.239 10.638 -17.745 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.636 9.678 -17.200 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.558 10.437 -16.005 1.00 0.00 H new ATOM 1331 N ARG A 80 1.444 9.305 -17.828 1.00 0.00 N ATOM 1332 CA ARG A 80 2.855 9.667 -17.747 1.00 0.00 C ATOM 1333 C ARG A 80 3.018 11.137 -17.380 1.00 0.00 C ATOM 1334 O ARG A 80 2.073 11.920 -17.473 1.00 0.00 O ATOM 1335 CB ARG A 80 3.550 9.383 -19.079 1.00 0.00 C ATOM 1336 CG ARG A 80 3.822 7.908 -19.323 1.00 0.00 C ATOM 1337 CD ARG A 80 4.681 7.697 -20.559 1.00 0.00 C ATOM 1338 NE ARG A 80 3.881 7.359 -21.733 1.00 0.00 N ATOM 1339 CZ ARG A 80 3.420 6.137 -21.991 1.00 0.00 C ATOM 1340 NH1 ARG A 80 3.677 5.134 -21.159 1.00 0.00 N ATOM 1341 NH2 ARG A 80 2.702 5.916 -23.083 1.00 0.00 N ATOM 0 H ARG A 80 1.076 9.251 -18.778 1.00 0.00 H new ATOM 0 HA ARG A 80 3.317 9.063 -16.966 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.933 9.769 -19.890 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.494 9.928 -19.110 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.322 7.481 -18.454 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.877 7.377 -19.440 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.255 8.602 -20.760 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.400 6.900 -20.369 1.00 0.00 H new ATOM 0 HE ARG A 80 3.662 8.104 -22.395 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.230 5.298 -20.318 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.321 4.200 -21.361 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.503 6.682 -23.726 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.349 4.980 -23.280 1.00 0.00 H new ATOM 1355 N THR A 81 4.225 11.507 -16.964 1.00 0.00 N ATOM 1356 CA THR A 81 4.514 12.885 -16.584 1.00 0.00 C ATOM 1357 C THR A 81 5.159 13.643 -17.742 1.00 0.00 C ATOM 1358 O THR A 81 5.801 13.045 -18.605 1.00 0.00 O ATOM 1359 CB THR A 81 5.436 12.917 -15.365 1.00 0.00 C ATOM 1360 OG1 THR A 81 6.598 12.141 -15.593 1.00 0.00 O ATOM 1361 CG2 THR A 81 4.779 12.399 -14.103 1.00 0.00 C ATOM 0 H THR A 81 5.019 10.872 -16.882 1.00 0.00 H new ATOM 0 HA THR A 81 3.572 13.372 -16.332 1.00 0.00 H new ATOM 0 HB THR A 81 5.686 13.968 -15.221 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.683 11.953 -16.551 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.488 12.449 -13.277 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.906 13.009 -13.870 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.469 11.365 -14.252 1.00 0.00 H new ATOM 1369 N PRO A 82 4.996 14.976 -17.775 1.00 0.00 N ATOM 1370 CA PRO A 82 5.567 15.815 -18.834 1.00 0.00 C ATOM 1371 C PRO A 82 7.086 15.902 -18.745 1.00 0.00 C ATOM 1372 O PRO A 82 7.780 15.871 -19.761 1.00 0.00 O ATOM 1373 CB PRO A 82 4.938 17.187 -18.581 1.00 0.00 C ATOM 1374 CG PRO A 82 4.607 17.189 -17.129 1.00 0.00 C ATOM 1375 CD PRO A 82 4.246 15.771 -16.785 1.00 0.00 C ATOM 0 HA PRO A 82 5.361 15.414 -19.827 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.629 17.992 -18.831 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.046 17.332 -19.191 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.455 17.531 -16.536 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.778 17.865 -16.919 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.536 15.519 -15.765 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.172 15.600 -16.863 1.00 0.00 H new ATOM 1383 N GLU A 83 7.597 16.007 -17.523 1.00 0.00 N ATOM 1384 CA GLU A 83 9.035 16.096 -17.299 1.00 0.00 C ATOM 1385 C GLU A 83 9.746 14.858 -17.837 1.00 0.00 C ATOM 1386 O GLU A 83 10.739 14.964 -18.556 1.00 0.00 O ATOM 1387 CB GLU A 83 9.328 16.266 -15.806 1.00 0.00 C ATOM 1388 CG GLU A 83 10.119 17.524 -15.482 1.00 0.00 C ATOM 1389 CD GLU A 83 9.331 18.792 -15.749 1.00 0.00 C ATOM 1390 OE1 GLU A 83 8.892 18.985 -16.902 1.00 0.00 O ATOM 1391 OE2 GLU A 83 9.153 19.590 -14.805 1.00 0.00 O ATOM 0 H GLU A 83 7.036 16.033 -16.672 1.00 0.00 H new ATOM 0 HA GLU A 83 9.411 16.967 -17.835 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.385 16.288 -15.259 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.882 15.397 -15.451 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.419 17.501 -14.434 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.033 17.537 -16.075 1.00 0.00 H new ATOM 1398 N ASP A 84 9.229 13.686 -17.482 1.00 0.00 N ATOM 1399 CA ASP A 84 9.814 12.427 -17.929 1.00 0.00 C ATOM 1400 C ASP A 84 8.730 11.453 -18.379 1.00 0.00 C ATOM 1401 O ASP A 84 7.607 11.481 -17.873 1.00 0.00 O ATOM 1402 CB ASP A 84 10.644 11.800 -16.806 1.00 0.00 C ATOM 1403 CG ASP A 84 12.101 12.213 -16.867 1.00 0.00 C ATOM 1404 OD1 ASP A 84 12.378 13.428 -16.782 1.00 0.00 O ATOM 1405 OD2 ASP A 84 12.965 11.320 -16.998 1.00 0.00 O ATOM 0 H ASP A 84 8.407 13.582 -16.887 1.00 0.00 H new ATOM 0 HA ASP A 84 10.463 12.638 -18.779 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.226 12.092 -15.842 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.574 10.714 -16.868 1.00 0.00 H new ATOM 1410 N ARG A 85 9.072 10.592 -19.332 1.00 0.00 N ATOM 1411 CA ARG A 85 8.126 9.610 -19.850 1.00 0.00 C ATOM 1412 C ARG A 85 8.342 8.248 -19.197 1.00 0.00 C ATOM 1413 O ARG A 85 8.075 7.209 -19.802 1.00 0.00 O ATOM 1414 CB ARG A 85 8.266 9.487 -21.369 1.00 0.00 C ATOM 1415 CG ARG A 85 8.131 10.813 -22.099 1.00 0.00 C ATOM 1416 CD ARG A 85 7.828 10.610 -23.576 1.00 0.00 C ATOM 1417 NE ARG A 85 8.835 11.233 -24.432 1.00 0.00 N ATOM 1418 CZ ARG A 85 10.024 10.693 -24.690 1.00 0.00 C ATOM 1419 NH1 ARG A 85 10.359 9.524 -24.160 1.00 0.00 N ATOM 1420 NH2 ARG A 85 10.881 11.325 -25.480 1.00 0.00 N ATOM 0 H ARG A 85 9.997 10.554 -19.761 1.00 0.00 H new ATOM 0 HA ARG A 85 7.119 9.952 -19.611 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.237 9.050 -21.602 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.508 8.797 -21.741 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.336 11.402 -21.641 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.053 11.384 -21.991 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.778 9.543 -23.793 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.848 11.028 -23.806 1.00 0.00 H new ATOM 0 HE ARG A 85 8.614 12.134 -24.856 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.704 9.034 -23.551 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.272 9.115 -24.362 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.629 12.224 -25.890 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.792 10.912 -25.678 1.00 0.00 H new ATOM 1434 N LYS A 86 8.825 8.259 -17.958 1.00 0.00 N ATOM 1435 CA LYS A 86 9.075 7.024 -17.225 1.00 0.00 C ATOM 1436 C LYS A 86 8.460 7.082 -15.827 1.00 0.00 C ATOM 1437 O LYS A 86 8.876 6.353 -14.927 1.00 0.00 O ATOM 1438 CB LYS A 86 10.580 6.762 -17.125 1.00 0.00 C ATOM 1439 CG LYS A 86 11.084 5.718 -18.109 1.00 0.00 C ATOM 1440 CD LYS A 86 12.235 4.914 -17.526 1.00 0.00 C ATOM 1441 CE LYS A 86 13.296 4.621 -18.574 1.00 0.00 C ATOM 1442 NZ LYS A 86 14.338 3.688 -18.062 1.00 0.00 N ATOM 0 H LYS A 86 9.051 9.109 -17.442 1.00 0.00 H new ATOM 0 HA LYS A 86 8.606 6.206 -17.772 1.00 0.00 H new ATOM 0 HB2 LYS A 86 11.115 7.697 -17.294 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.817 6.438 -16.112 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.269 5.046 -18.378 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.409 6.208 -19.027 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.682 5.464 -16.698 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.856 3.977 -17.118 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.825 4.190 -19.457 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.765 5.554 -18.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.043 3.513 -18.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.805 4.110 -17.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.894 2.788 -17.788 1.00 0.00 H new ATOM 1456 N VAL A 87 7.468 7.950 -15.653 1.00 0.00 N ATOM 1457 CA VAL A 87 6.801 8.098 -14.365 1.00 0.00 C ATOM 1458 C VAL A 87 5.290 8.198 -14.541 1.00 0.00 C ATOM 1459 O VAL A 87 4.790 9.118 -15.189 1.00 0.00 O ATOM 1460 CB VAL A 87 7.302 9.344 -13.611 1.00 0.00 C ATOM 1461 CG1 VAL A 87 6.745 9.374 -12.196 1.00 0.00 C ATOM 1462 CG2 VAL A 87 8.824 9.381 -13.593 1.00 0.00 C ATOM 0 H VAL A 87 7.109 8.561 -16.387 1.00 0.00 H new ATOM 0 HA VAL A 87 7.040 7.210 -13.780 1.00 0.00 H new ATOM 0 HB VAL A 87 6.945 10.230 -14.135 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.111 10.262 -11.680 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.656 9.399 -12.234 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.069 8.483 -11.659 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.160 10.268 -13.056 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.204 8.489 -13.094 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.199 9.412 -14.616 1.00 0.00 H new ATOM 1472 N TYR A 88 4.567 7.247 -13.959 1.00 0.00 N ATOM 1473 CA TYR A 88 3.113 7.229 -14.054 1.00 0.00 C ATOM 1474 C TYR A 88 2.479 7.906 -12.844 1.00 0.00 C ATOM 1475 O TYR A 88 3.095 8.010 -11.783 1.00 0.00 O ATOM 1476 CB TYR A 88 2.606 5.790 -14.171 1.00 0.00 C ATOM 1477 CG TYR A 88 3.319 4.983 -15.233 1.00 0.00 C ATOM 1478 CD1 TYR A 88 3.066 5.198 -16.582 1.00 0.00 C ATOM 1479 CD2 TYR A 88 4.243 4.005 -14.886 1.00 0.00 C ATOM 1480 CE1 TYR A 88 3.715 4.463 -17.555 1.00 0.00 C ATOM 1481 CE2 TYR A 88 4.897 3.266 -15.854 1.00 0.00 C ATOM 1482 CZ TYR A 88 4.629 3.499 -17.186 1.00 0.00 C ATOM 1483 OH TYR A 88 5.277 2.765 -18.153 1.00 0.00 O ATOM 0 H TYR A 88 4.964 6.480 -13.417 1.00 0.00 H new ATOM 0 HA TYR A 88 2.827 7.782 -14.948 1.00 0.00 H new ATOM 0 HB2 TYR A 88 2.723 5.293 -13.208 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.539 5.806 -14.394 1.00 0.00 H new ATOM 0 HD1 TYR A 88 2.350 5.952 -16.875 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.454 3.819 -13.843 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.507 4.643 -18.600 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.614 2.510 -15.568 1.00 0.00 H new ATOM 0 HH TYR A 88 6.244 2.906 -18.078 1.00 0.00 H new ATOM 1493 N THR A 89 1.245 8.367 -13.011 1.00 0.00 N ATOM 1494 CA THR A 89 0.524 9.035 -11.935 1.00 0.00 C ATOM 1495 C THR A 89 -0.954 8.661 -11.958 1.00 0.00 C ATOM 1496 O THR A 89 -1.545 8.494 -13.025 1.00 0.00 O ATOM 1497 CB THR A 89 0.679 10.553 -12.053 1.00 0.00 C ATOM 1498 OG1 THR A 89 0.837 10.936 -13.408 1.00 0.00 O ATOM 1499 CG2 THR A 89 1.864 11.094 -11.282 1.00 0.00 C ATOM 0 H THR A 89 0.722 8.290 -13.883 1.00 0.00 H new ATOM 0 HA THR A 89 0.950 8.706 -10.987 1.00 0.00 H new ATOM 0 HB THR A 89 -0.233 10.972 -11.628 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.933 11.910 -13.464 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.917 12.175 -11.408 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.749 10.857 -10.224 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.781 10.640 -11.658 1.00 0.00 H new ATOM 1507 N TYR A 90 -1.546 8.529 -10.776 1.00 0.00 N ATOM 1508 CA TYR A 90 -2.955 8.174 -10.662 1.00 0.00 C ATOM 1509 C TYR A 90 -3.844 9.380 -10.943 1.00 0.00 C ATOM 1510 O TYR A 90 -3.890 10.327 -10.158 1.00 0.00 O ATOM 1511 CB TYR A 90 -3.252 7.618 -9.268 1.00 0.00 C ATOM 1512 CG TYR A 90 -4.419 6.658 -9.235 1.00 0.00 C ATOM 1513 CD1 TYR A 90 -4.359 5.441 -9.901 1.00 0.00 C ATOM 1514 CD2 TYR A 90 -5.580 6.969 -8.538 1.00 0.00 C ATOM 1515 CE1 TYR A 90 -5.424 4.559 -9.875 1.00 0.00 C ATOM 1516 CE2 TYR A 90 -6.648 6.092 -8.506 1.00 0.00 C ATOM 1517 CZ TYR A 90 -6.566 4.890 -9.176 1.00 0.00 C ATOM 1518 OH TYR A 90 -7.627 4.016 -9.147 1.00 0.00 O ATOM 0 H TYR A 90 -1.071 8.663 -9.883 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.172 7.406 -11.404 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.364 7.110 -8.892 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.456 8.448 -8.591 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.466 5.179 -10.448 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.649 7.910 -8.013 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.362 3.617 -10.399 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.543 6.347 -7.958 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.793 3.673 -10.050 1.00 0.00 H new ATOM 1528 N VAL A 91 -4.550 9.339 -12.068 1.00 0.00 N ATOM 1529 CA VAL A 91 -5.439 10.429 -12.453 1.00 0.00 C ATOM 1530 C VAL A 91 -6.899 9.991 -12.408 1.00 0.00 C ATOM 1531 O VAL A 91 -7.712 10.418 -13.228 1.00 0.00 O ATOM 1532 CB VAL A 91 -5.114 10.949 -13.866 1.00 0.00 C ATOM 1533 CG1 VAL A 91 -3.889 11.850 -13.837 1.00 0.00 C ATOM 1534 CG2 VAL A 91 -4.909 9.787 -14.823 1.00 0.00 C ATOM 0 H VAL A 91 -4.524 8.563 -12.729 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.281 11.233 -11.734 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.959 11.540 -14.221 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.676 12.207 -14.845 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.079 12.701 -13.183 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.033 11.288 -13.462 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.680 10.171 -15.817 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.082 9.169 -14.473 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.818 9.186 -14.866 1.00 0.00 H new ATOM 1544 N ALA A 92 -7.225 9.137 -11.443 1.00 0.00 N ATOM 1545 CA ALA A 92 -8.588 8.641 -11.290 1.00 0.00 C ATOM 1546 C ALA A 92 -9.023 8.674 -9.829 1.00 0.00 C ATOM 1547 CB ALA A 92 -8.700 7.229 -11.846 1.00 0.00 C ATOM 0 H ALA A 92 -6.564 8.774 -10.756 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.253 9.295 -11.854 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.722 6.871 -11.726 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.439 7.233 -12.904 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.019 6.571 -11.307 1.00 0.00 H new